SCHEMBL25333530

SCHEMBL25333530

CC(F)(F)CCC(C=O)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.40
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSH P09668 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25333528 1.00 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL14975127 0.85 CTSK (0.44) CTSKCTSLCTSBCTSH
SCHEMBL6402771 0.77 CTSK (0.44) CTSKCTSLCTSBCTSH
SCHEMBL328961 0.75 CTSK (0.50) CTSKCTSLCTSBCTSH
SCHEMBL4786392 0.75 CTSK (0.50) CTSKCTSLCTSBCTSH
SCHEMBL30484701 0.74 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL25332754 0.74 CTSK (0.53) CTSKCTSSCTSLCTSBCTSH
SCHEMBL15821512 0.74 CTSK (0.34) CTSKCTSSCTSLCTSB
SCHEMBL25320964 0.73 CTSS (0.34) CTSKCTSS
SCHEMBL9994206 0.73 CTSK (0.38) CTSKCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151465-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-07-18 WO disclosed
WO-2023133174-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2023-07-13 WO disclosed